4-[(2-acetamidoethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-acetamidoethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-acetamidoacetyl)amino]methyl]benzoic acid CAS Name: 4-[[(2-acetamido-1-oxoethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-acetamidoacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-acetamidoacetyl)amino]methyl]benzoic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)NCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H14N2O4/c1-8(15)13-7-11(16)14-6-9-2-4-10(5-3-9)12(17)18/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)